(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

C14H21NO3S — CID 15418142

IUPAC(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](C)[C@@H](O)CC2(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-10-5-7-12(8-6-10)19(17,18)15-11(2)13(16)9-14(15,3)4/h5-8,11,13,16H,9H2,1-4H3/t11-,13+/m1/s1
InChIKeyYFYKOYHIQPKILF-YPMHNXCESA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds2

About (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol

(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 15418142) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID15418142
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1ccc(S(=O)(=O)N2[C@H](C)[C@@H](O)CC2(C)C)cc1
InChIInChI=1S/C14H21NO3S/c1-10-5-7-12(8-6-10)19(17,18)15-11(2)13(16)9-14(15,3)4/h5-8,11,13,16H,9H2,1-4H3/t11-,13+/m1/s1
InChIKeyYFYKOYHIQPKILF-YPMHNXCESA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(hydroxymethyl)-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 10685556
1-[4,4-dimethyl-1-(4-methylphenyl)sulfonylazetidin-2-yl]ethane-1,2-diol
CID 10756585
2,3-dimethyl-1-(4-methylphenyl)sulfonylaziridine
CID 11218386
5,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 52950936
(1R,5R)-1-methyl-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexane
CID 125495258
[(2S,3R)-3-butyl-2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 102507295
(4S)-4-hydroxy-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
CID 101404102
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
3-ethyl-2-methyl-1-(4-methylphenyl)sulfonylaziridine-2-carbonitrile
CID 134896823
(1R,6S)-1-methyl-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.1.0]heptan-5-one
CID 122233234
3-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-ol
CID 11777132
(1R,3R,5S,7S)-1,7-dimethyl-8-(4-methylphenyl)sulfonyl-4-oxa-8-azatricyclo[5.1.0.03,5]octane
CID 11522162

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol (CID 15418142) is (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1ccc(S(=O)(=O)N2[C@H](C)[C@@H](O)CC2(C)C)cc1.
What is the InChIKey of (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is YFYKOYHIQPKILF-YPMHNXCESA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-5-7-12(8-6-10)19(17,18)15-11(2)13(16)9-14(15,3)4/h5-8,11,13,16H,9H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol?
(2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,5,5-trimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 15418142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).